5-methoxy-1,2-dimethylindole-4,7-dione

C11H11NO3 — CID 10013178

IUPAC5-methoxy-1,2-dimethylindole-4,7-dione
SMILESCOC1=CC(=O)c2c(cc(C)n2C)C1=O
InChIInChI=1S/C11H11NO3/c1-6-4-7-10(12(6)2)8(13)5-9(15-3)11(7)14/h4-5H,1-3H3
InChIKeyXBTCKQLHTBOIOD-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.24
Rot. Bonds1

About 5-methoxy-1,2-dimethylindole-4,7-dione

5-methoxy-1,2-dimethylindole-4,7-dione (PubChem CID 10013178) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethylindole-4,7-dione.

Molecular Properties

Compound Name5-methoxy-1,2-dimethylindole-4,7-dione
PubChem CID10013178
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-methoxy-1,2-dimethylindole-4,7-dione
SMILESCOC1=CC(=O)c2c(cc(C)n2C)C1=O
InChIInChI=1S/C11H11NO3/c1-6-4-7-10(12(6)2)8(13)5-9(15-3)11(7)14/h4-5H,1-3H3
InChIKeyXBTCKQLHTBOIOD-UHFFFAOYSA-N
XLogP1.24
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dimethylindole-4,7-dione?
The IUPAC name of 5-methoxy-1,2-dimethylindole-4,7-dione (CID 10013178) is 5-methoxy-1,2-dimethylindole-4,7-dione.
What is the SMILES notation for 5-methoxy-1,2-dimethylindole-4,7-dione?
The canonical SMILES for 5-methoxy-1,2-dimethylindole-4,7-dione is COC1=CC(=O)c2c(cc(C)n2C)C1=O.
What is the InChIKey of 5-methoxy-1,2-dimethylindole-4,7-dione?
The InChIKey is XBTCKQLHTBOIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-4-7-10(12(6)2)8(13)5-9(15-3)11(7)14/h4-5H,1-3H3.
What are the key properties of 5-methoxy-1,2-dimethylindole-4,7-dione?
5-methoxy-1,2-dimethylindole-4,7-dione has a molecular weight of 205.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dimethylindole-4,7-dione is sourced from PubChem (CID 10013178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).